Bergenin hydrate supplier | CasNO.5956-63-8

Name
(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one hydrate (1:1)
EINECS
CAS No. 5956-63-8
Density
Solubility
Melting Point
Formula C₁₄H₁₆O₉•7H₂0
Boiling Point 658.9°C at 760 mmHg
Molecular Weight 454.44
Flash Point 250.7°C
Transport Information
Appearance
Safety Moderately toxic by several routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms HMS2231G14;HMS2097D03;HMS1570D03;Prestwick_64;Bergenin monohydrate;
PSA 155.14000
LogP -1.26490

Bergenin hydrate Chemical Properties

Product Name: Bergenin hydrate (CAS NO.5956-63-8)

Molecular Formula: C₁₄H₁₈O₁₀
Molecular Weight: 346.2867g/mol
Mol File: 5956-63-8.mol
Boiling point: 658.9 °C at 760 mmHg
Flash Point: 250.7 °C
Enthalpy of Vaporization: 101.91 kJ/mol
Vapour Pressure: 2.92E-18 mmHg at 25°C
H-Bond Donor: 6
H-Bond Acceptor: 10
Structure Descriptors of Bergenin hydrate (CAS NO.5956-63-8):
IUPAC Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,
4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one hydrate
Canonical SMILES: COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O.O
Isomeric SMILES: COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O.O
InChI: InChI=1S/C14H16O9.H2O/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10
(19)8(17)6(3-15)22-12;/h2,6,8,10,12-13,15-19H,3H2,1H3;1H2/t6-,8-,10+,
12+,13-;/m1./s1
InChIKey: QCWSXSAFDSGKAT-YOKSUNLASA-N

Bergenin hydrate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	6410mg/kg (6410mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 1198, 1975.
mouse	LD50	intravenous	5400mg/kg (5400mg/kg)	BEHAVIORAL: ATAXIA	Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 1198, 1975.
mouse	LD50	oral	> 13gm/kg (13000mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 1198, 1975.
rat	LD50	intraperitoneal	3040mg/kg (3040mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 1198, 1975.
rat	LD50	intravenous	2800mg/kg (2800mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 1198, 1975.
rat	LD50	oral	> 10gm/kg (10000mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 1198, 1975.

Bergenin hydrate Safety Profile

Moderately toxic by several routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes.

Bergenin hydrate Specification

Bergenin hydrate ,its CAS NO. is 5956-63-8,the synonyms is Pyrano(3,2-c)(2)benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-
3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, hydrate .

Product Name

(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one hydrate (1:1)

Bergenin hydrate Chemical Properties

Bergenin hydrate Toxicity Data With Reference

Bergenin hydrate Safety Profile

Bergenin hydrate Specification

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